Success of initialization can be tested using the operator
OELibraryGen::operatorbool method.
The second argument to the constructor is used to specify the
interpretation of the SMIRKS semantics.
By default, the ‘smirks` string is interpreted using strict
semantics.

Initializes the starting materials corresponding to a reaction
component.
An iterator over molecules or a single molecule may be passed as
the first argument to the overloaded methods.
Subsequent calls to the
OELibraryGen::AddStartingMaterial methods
append to the list of starting materials set in prior calls.
The second argument (‘reacnum’) specifies the reactant to which
the starting materials correspond.

A copy of the starting material molecules are stored internally
with the atom maps from the reactant pattern.
This is done for efficiency, as each product molecule requires
very little computational work to be done because of the
starting material preprocessing.

The final argument (‘umatch) is used to control the pattern
matching of the reactant pattern to the starting material.
If the value passed is true, only matches that contain a
unique set of atoms relative to previously identified matches
are used.
If the value is false, every possible match including those
related by symmetry will be used. Reactant patterns are unique
matched by default.

Retrieves the string used to separate molecule titles in product
molecules generated by the OELibraryGen object.
The titles of product molecules are created by concatenating
reactant molecule titles with a delimiter or separator inserted
between the reactant molecule titles.
The default separator is the underscore character _.
The title separator string can be changed by calling the
OELibraryGen::SetTitleSeparator method.

Returns the number of separate reactants that the
OELibraryGen object perceived during
initialization.
The value returned will be equal to the number of graphically
disconnected reactants that are not grouped together using the
SMIRKS parts primitive.

Initializes the starting materials corresponding to a reaction
component.
An iterator over molecules or a single molecule may be passed as
the first argument to the overloaded methods.
Subsequent calls to the
OELibraryGen::SetStartingMaterial methods
discard the list of starting materials set in prior calls.
The second argument (‘reacnum’) specifies the reactant to which
the starting materials correspond.

A copy of the starting material molecules are stored internally
with the atom maps from the reactant pattern.
This is done for efficiency, as each product molecule requires
very little computational work to be done because of the
starting material preprocessing.

The final argument (‘umatch’) is used to control the pattern
matching of the reactant pattern to the starting material.
If the value passed is true, only matches that contain a
unique set of atoms relative to previously identified matches
are used.
If the value is false, every possible match including those
related by symmetry will be used. Reactant patterns are unique
matched by default.

Sets the separator or delimiter used by the
OELibraryGen object to compose product molecule
titles.
Product molecule titles are created by concatenating reactant
molecule titles separated by a title separator or delimiter.
The default separator is the underscore character _.

Sets whether the generated products are simply returned after a
Kekulization attempt, or if the Kekulé form is validated more
rigorously. If the extra validation is enabled and an invalid
Kekulé form is identified, alternatives are tried by adding
and removing implicit hydrogens from aromatic nitrogens to
produce a valid Kekulé form. No further attempt is made to
return the most reasonable or chemically sensible result. By
default, the extra Kekulé validation is enabled.